SCHEMBL688158

SCHEMBL688158

CCOc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGER3 P43115 10/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
CYP1A2 P05177 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL687324 0.93 PTGER3 (0.41) RXFP1NPSR1MAPTKDM4EMEN1
SCHEMBL687654 0.92 PTGER3 (0.43) MAPTKDM4EMEN1RECQLKMT2A
SCHEMBL687524 0.92 PTGER3 (0.45) RXFP1NPSR1MAPTKDM4EPTGER3
SCHEMBL687971 0.91 FFAR1 (0.42) RXFP1NPSR1PTGER3ITGB1ITGA4
SCHEMBL687629 0.90 SMN1; SMN2 (0.45) NPSR1MAPTMEN1KMT2APTGER3
SCHEMBL687418 0.90 PTGER3 (0.46) NPSR1KDM4EPTGER3SMN1; SMN2ALDH1A1
SCHEMBL688366 0.89 PTGER3 (0.46) KDM4EPTGER3SMN1; SMN2ALDH1A1LMNA
SCHEMBL688040 0.89 PTGER3 (0.49) MAPTKDM4EMEN1KMT2APTGER3
SCHEMBL688155 0.89 PTGER3 (0.49) MAPTKDM4EMEN1KMT2APTGER3
SCHEMBL688004 0.89 PTGER3 (0.44) NPSR1KDM4EMEN1KMT2APTGER3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed